4-methoxy-N-(4-phenylbutan-2-yl)-3-[(2,3,5-trimethylphenoxy)methyl]benzamide

C28H33NO3 — CID 133178353

IUPAC4-methoxy-N-(4-phenylbutan-2-yl)-3-[(2,3,5-trimethylphenoxy)methyl]benzamide
SMILESCOc1ccc(C(=O)NC(C)CCc2ccccc2)cc1COc1cc(C)cc(C)c1C
InChIInChI=1S/C28H33NO3/c1-19-15-20(2)22(4)27(16-19)32-18-25-17-24(13-14-26(25)31-5)28(30)29-21(3)11-12-23-9-7-6-8-10-23/h6-10,13-17,21H,11-12,18H2,1-5H3,(H,29,30)
InChIKeyCGPOLOICEHZZPV-UHFFFAOYSA-N
MW431.58 g/mol
LogP5.95
Rot. Bonds9

About 4-methoxy-N-(4-phenylbutan-2-yl)-3-[(2,3,5-trimethylphenoxy)methyl]benzamide

4-methoxy-N-(4-phenylbutan-2-yl)-3-[(2,3,5-trimethylphenoxy)methyl]benzamide (PubChem CID 133178353) has the molecular formula C28H33NO3 and a molecular weight of 431.58 g/mol. Its IUPAC name is 4-methoxy-N-(4-phenylbutan-2-yl)-3-[(2,3,5-trimethylphenoxy)methyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-(4-phenylbutan-2-yl)-3-[(2,3,5-trimethylphenoxy)methyl]benzamide
PubChem CID133178353
Molecular FormulaC28H33NO3
Molecular Weight431.58 g/mol
Exact Mass431.25
IUPAC Name4-methoxy-N-(4-phenylbutan-2-yl)-3-[(2,3,5-trimethylphenoxy)methyl]benzamide
SMILESCOc1ccc(C(=O)NC(C)CCc2ccccc2)cc1COc1cc(C)cc(C)c1C
InChIInChI=1S/C28H33NO3/c1-19-15-20(2)22(4)27(16-19)32-18-25-17-24(13-14-26(25)31-5)28(30)29-21(3)11-12-23-9-7-6-8-10-23/h6-10,13-17,21H,11-12,18H2,1-5H3,(H,29,30)
InChIKeyCGPOLOICEHZZPV-UHFFFAOYSA-N
XLogP5.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.58
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-3-(phenoxymethyl)-N-(4-phenylbutan-2-yl)benzamide
CID 133149991
3-[(3,4-dimethylphenoxy)methyl]-4-methoxy-N-(4-phenylbutan-2-yl)benzamide
CID 133178361
4-ethoxy-3-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 1243127
4-ethoxy-3-[(3-methoxyphenoxy)methyl]-N-(4-phenylbutan-2-yl)benzamide
CID 133254130
3,4-dimethyl-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 903724
4-methoxy-3-(methylsulfamoyl)-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 40742244
3,4-diethoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 798797
4-methoxy-3-[(4-methylphenoxy)methyl]-N-(1-phenylethyl)benzamide
CID 133150012
3,4-dimethoxy-N-(1-phenylpropan-2-yl)benzamide
CID 2843229
4-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 854833
3-methoxy-N-[(2S)-4-phenylbutan-2-yl]naphthalene-2-carboxamide
CID 26290914
N-butan-2-yl-4-methoxy-3-(methoxymethyl)benzamide
CID 133179091

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4-phenylbutan-2-yl)-3-[(2,3,5-trimethylphenoxy)methyl]benzamide?
The IUPAC name of 4-methoxy-N-(4-phenylbutan-2-yl)-3-[(2,3,5-trimethylphenoxy)methyl]benzamide (CID 133178353) is 4-methoxy-N-(4-phenylbutan-2-yl)-3-[(2,3,5-trimethylphenoxy)methyl]benzamide.
What is the SMILES notation for 4-methoxy-N-(4-phenylbutan-2-yl)-3-[(2,3,5-trimethylphenoxy)methyl]benzamide?
The canonical SMILES for 4-methoxy-N-(4-phenylbutan-2-yl)-3-[(2,3,5-trimethylphenoxy)methyl]benzamide is COc1ccc(C(=O)NC(C)CCc2ccccc2)cc1COc1cc(C)cc(C)c1C.
What is the InChIKey of 4-methoxy-N-(4-phenylbutan-2-yl)-3-[(2,3,5-trimethylphenoxy)methyl]benzamide?
The InChIKey is CGPOLOICEHZZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO3/c1-19-15-20(2)22(4)27(16-19)32-18-25-17-24(13-14-26(25)31-5)28(30)29-21(3)11-12-23-9-7-6-8-10-23/h6-10,13-17,21H,11-12,18H2,1-5H3,(H,29,30).
What are the key properties of 4-methoxy-N-(4-phenylbutan-2-yl)-3-[(2,3,5-trimethylphenoxy)methyl]benzamide?
4-methoxy-N-(4-phenylbutan-2-yl)-3-[(2,3,5-trimethylphenoxy)methyl]benzamide has a molecular weight of 431.58 g/mol, XLogP of 5.95, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4-phenylbutan-2-yl)-3-[(2,3,5-trimethylphenoxy)methyl]benzamide is sourced from PubChem (CID 133178353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).